6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine

C15H18N2 — CID 146522461

IUPAC6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine
SMILESC/C=C\N1C=C(C2=CCC=CN=C2)C=CC1C
InChIInChI=1S/C15H18N2/c1-3-10-17-12-15(8-7-13(17)2)14-6-4-5-9-16-11-14/h3,5-13H,4H2,1-2H3/b10-3-
InChIKeyNKQWDRUPXSUGTL-KMKOMSMNSA-N
MW226.32 g/mol
LogP3.58
Rot. Bonds2

About 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine

6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine (PubChem CID 146522461) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine.

Molecular Properties

Compound Name6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine
PubChem CID146522461
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine
SMILESC/C=C\N1C=C(C2=CCC=CN=C2)C=CC1C
InChIInChI=1S/C15H18N2/c1-3-10-17-12-15(8-7-13(17)2)14-6-4-5-9-16-11-14/h3,5-13H,4H2,1-2H3/b10-3-
InChIKeyNKQWDRUPXSUGTL-KMKOMSMNSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine?
The IUPAC name of 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine (CID 146522461) is 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine.
What is the SMILES notation for 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine?
The canonical SMILES for 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine is C/C=C\N1C=C(C2=CCC=CN=C2)C=CC1C.
What is the InChIKey of 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine?
The InChIKey is NKQWDRUPXSUGTL-KMKOMSMNSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-10-17-12-15(8-7-13(17)2)14-6-4-5-9-16-11-14/h3,5-13H,4H2,1-2H3/b10-3-.
What are the key properties of 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine?
6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine has a molecular weight of 226.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-1-[(Z)-prop-1-enyl]-2H-pyridin-5-yl]-4H-azepine is sourced from PubChem (CID 146522461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).